N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide

C20H24N4O4S — CID 86936663

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(C)c3c2=O)cc1
InChIInChI=1S/C20H24N4O4S/c1-4-24(5-2)29(27,28)17-8-6-16(7-9-17)21-18(25)14-23-13-11-15-10-12-22(3)19(15)20(23)26/h6-13H,4-5,14H2,1-3H3,(H,21,25)
InChIKeyWLYVDAHOIWTFHZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.01
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (PubChem CID 86936663) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
PubChem CID86936663
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(C)c3c2=O)cc1
InChIInChI=1S/C20H24N4O4S/c1-4-24(5-2)29(27,28)17-8-6-16(7-9-17)21-18(25)14-23-13-11-15-10-12-22(3)19(15)20(23)26/h6-13H,4-5,14H2,1-3H3,(H,21,25)
InChIKeyWLYVDAHOIWTFHZ-UHFFFAOYSA-N
XLogP2.01
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-iodophenyl)acetamide
CID 16552124
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-(4-cyanophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552503
N-[4-(diethylsulfamoyl)phenyl]-2-[[(2S)-2-hydroxypropyl]amino]acetamide
CID 2458881
N-[4-[(2S)-butan-2-yl]phenyl]-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 7768257
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3251537
N-[4-(diethylsulfamoyl)phenyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916612
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide
CID 4883075
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide (CID 86936663) is N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2ccc3ccn(C)c3c2=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
The InChIKey is WLYVDAHOIWTFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-4-24(5-2)29(27,28)17-8-6-16(7-9-17)21-18(25)14-23-13-11-15-10-12-22(3)19(15)20(23)26/h6-13H,4-5,14H2,1-3H3,(H,21,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 86936663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).